2-[[4-(1-carboxy-3-methylsulfanylpropyl)iminocyclohexa-2,5-dien-1-ylidene]amino]-4-methylsulfanylbutanoic acid
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![2-[[4-(1-carboxy-3-methylsulfanylpropyl)iminocyclohexa-2,5-dien-1-ylidene]amino]-4-methylsulfanylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/724d9532016e45d0a423dac704d451ed.png "2-[[4-(1-carboxy-3-methylsulfanylpropyl)iminocyclohexa-2,5-dien-1-ylidene]amino]-4-methylsulfanylbutanoic acid")
2-[[4-(1-carboxy-3-methylsulfanylpropyl)iminocyclohexa-2,5-dien-1-ylidene]amino]-4-methylsulfanylbutanoic acid
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CAS No:
76451-05-3
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Formula:
C16H22N2O4S2
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Chemical Name:
2-[[4-(1-carboxy-3-methylsulfanylpropyl)iminocyclohexa-2,5-dien-1-ylidene]amino]-4-methylsulfanylbutanoic acid
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Synonyms:
76451-05-3;NSC353461;DTXSID90319991;NSC-353461;2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)azanylylidene]}bis[4-(methylsulfanyl)butanoic acid] (non-preferred name)
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CAS No:
2-[[4-(1-carboxy-3-methylsulfanylpropyl)iminocyclohexa-2,5-dien-1-ylidene]amino]-4-methylsulfanylbutanoic acid Basic Attributes
370.5 g/mol
370.10209953 g/mol
353461
DTXSID90319991
Computed Properties
Molecular Weight:370.5
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:370.10209953
Monoisotopic Mass:370.10209953
Topological Polar Surface Area:150
Heavy Atom Count:24
Complexity:504
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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